⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL51408 | 0.72 | — | — | |
| SCHEMBL19881601 | 0.72 | — | — | |
| SCHEMBL4000711 | 0.70 | — | — | |
| Water SCHEMBL15210122 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL28562323 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL1023100 | 0.70 | — | — | |
| SCHEMBL160461 | 0.70 | — | — | |
| Water SCHEMBL3454746 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL843402 | 0.70 | — | — | |
| SCHEMBL29992029 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101513329-A | Oxygen infusion control for coffee container | KRAFT FOODS GLOBAL BRANDS LLC (US) | 2009-08-26 | — | — | CN | claimed |
| US-4579684-A | Process for the manufacture of enol derivatives | CIBA-GEIGY CORPORATION (US) | 1986-04-01 | — | — | US | claimed |
| US-4550162-A | Process for the manufacture of enol derivatives | CIBA-GEIGY CORPORATION (US) | 1985-10-29 | — | — | US | claimed |
| US-4378380-A | DRYING AQUEOUS SOLUTION OF METHYL MERCAPTAN, ACETALDEHYDE, ALKANE ALDEHYDE, AND 2,3-BUTADIONE OR 2,3-PENTANEDIONE WITH FIXATIVE; DRYING FURFURYL MERCAPTAN WITH FIXATIVE; AND MIXING | GENERAL FOODS CORPORATION (US) | 1983-03-29 | — | — | US | claimed |
| US-4293462-A | Process for the manufacture of enol derivatives, and intermediates | CIBA-GEIGY CORPORATION (US) | 1981-10-06 | — | — | US | claimed |
| US-4110533-A | PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1978-08-29 | — | — | US | claimed |
| US-10280130-B2 | Polyisobutylene-based thermoplastic elastomers | THE UNIVERSITY OF AKRON (US) | 2019-05-07 | — | — | US | disclosed |
| EP-3440942-A1 | FOOD AND BEVERAGE PRODUCTS CONTAINING 1,3-PROPANEDIOL AND METHODS OF MODIFYING FLAVOR RELEASE USING 1,3-PROPANEDIOL | Kraft Foods Group Brands LLC (US) | 2019-02-13 | — | — | EP | disclosed |
| EP-2822399-B1 | BEVERAGE PRODUCTS CONTAINING 1,3-PROPANEDIOL AND METHODS OF MODIFYING FLAVOR RELEASE USING 1,3-PROPANEDIOL | KRAFT FOODS GROUP BRANDS LLC (US) | 2018-10-31 | — | — | EP | disclosed |
| US-20180116267-A1 | Food And Beverage Products Containing 1,3-Propanediol And Methods Of Modifying Flavor Release Using 1,3-Propanediol | KRAFT FOODS GROUP BRANDS LLC | 2018-05-03 | — | — | US | disclosed |
| EP-2188216-B1 | PROCESS FOR TREATING PULP MILL CONDENSATES USING A HOLLOW FIBER CONTACTOR | FPINNOVATIONS (CA) | 2018-04-25 | — | — | EP | disclosed |
| US-9883691-B2 | Food and beverage products containing 1,3-propanediol and methods of modifying flavor release using 1,3-propanediol | KRAFT FOODS GROUP BRANDS LLC (US) | 2018-02-06 | — | — | US | disclosed |
| US-20170240493-A1 | NOVEL POLYISOBUTYLENE-BASED THERMOPLASTIC ELASTOMERS | THE UNIVERSITY OF AKRON (US) | 2017-08-24 | — | — | US | disclosed |
| US-3989713-A | Pyrrylmethylthio flavoring agents | FIRMENICH & CIE (CH) | 1976-11-02 | — | — | US | disclosed |
| US-3952026-A | FLAVOR ADDITIVE FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1976-04-20 | — | — | US | disclosed |
| US-3952024-A | FLAVOR ADDITIVE FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1976-04-20 | — | — | US | disclosed |
| US-3943260-A | TETRAHYDRO-THIO-PHEN-3-ONES | FIRMENICH & CIE (CH) | 1976-03-09 | — | — | US | disclosed |
| US-3931245-A | FURYLALKYLTHIOL CARBOXYLATES | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931246-A | FURYLALKYL-THIOETHERS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931166-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |